(2-bromo-3-fluorophenyl)-naphthalen-2-ylmethanone

C17H10BrFO — CID 114970378

IUPAC(2-bromo-3-fluorophenyl)-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)c1cccc(F)c1Br
InChIInChI=1S/C17H10BrFO/c18-16-14(6-3-7-15(16)19)17(20)13-9-8-11-4-1-2-5-12(11)10-13/h1-10H
InChIKeyRARSLRKIZPHYQH-UHFFFAOYSA-N
MW329.17 g/mol
LogP4.97
Rot. Bonds2

About (2-bromo-3-fluorophenyl)-naphthalen-2-ylmethanone

(2-bromo-3-fluorophenyl)-naphthalen-2-ylmethanone (PubChem CID 114970378) has the molecular formula C17H10BrFO and a molecular weight of 329.17 g/mol. Its IUPAC name is (2-bromo-3-fluorophenyl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(2-bromo-3-fluorophenyl)-naphthalen-2-ylmethanone
PubChem CID114970378
Molecular FormulaC17H10BrFO
Molecular Weight329.17 g/mol
Exact Mass327.99
IUPAC Name(2-bromo-3-fluorophenyl)-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)c1cccc(F)c1Br
InChIInChI=1S/C17H10BrFO/c18-16-14(6-3-7-15(16)19)17(20)13-9-8-11-4-1-2-5-12(11)10-13/h1-10H
InChIKeyRARSLRKIZPHYQH-UHFFFAOYSA-N
XLogP4.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[6-(2-bromobenzoyl)naphthalen-2-yl]-(2-bromophenyl)methanone
CID 139602741
(2-bromo-3-fluorophenyl)-(4-cyclopropyloxyphenyl)methanone
CID 115812909
dinaphthalen-2-ylmethanone
CID 10945915
(2-amino-5-fluorophenyl)-naphthalen-2-ylmethanone
CID 82685979
(3-bromo-2-methoxyphenyl)-naphthalen-2-ylmethanone
CID 19432000
(3-bromo-4-ethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone
CID 104656856
(5-bromo-2-chlorophenyl)-naphthalen-2-ylmethanone
CID 114970356
(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanone
CID 23070163
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
(2-bromo-3-fluorophenyl)-(1,2-thiazol-4-yl)methanone
CID 164645645
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone
CID 79736368
(2-bromo-3-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 114970846

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluorophenyl)-naphthalen-2-ylmethanone?
The IUPAC name of (2-bromo-3-fluorophenyl)-naphthalen-2-ylmethanone (CID 114970378) is (2-bromo-3-fluorophenyl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (2-bromo-3-fluorophenyl)-naphthalen-2-ylmethanone?
The canonical SMILES for (2-bromo-3-fluorophenyl)-naphthalen-2-ylmethanone is O=C(c1ccc2ccccc2c1)c1cccc(F)c1Br.
What is the InChIKey of (2-bromo-3-fluorophenyl)-naphthalen-2-ylmethanone?
The InChIKey is RARSLRKIZPHYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrFO/c18-16-14(6-3-7-15(16)19)17(20)13-9-8-11-4-1-2-5-12(11)10-13/h1-10H.
What are the key properties of (2-bromo-3-fluorophenyl)-naphthalen-2-ylmethanone?
(2-bromo-3-fluorophenyl)-naphthalen-2-ylmethanone has a molecular weight of 329.17 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-fluorophenyl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 114970378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).